Basic information
- CAS
21787-89-3- Standard SMILES
C=CCOCC(O)Cn1ccnc1[N+](=O)[O-]- InChIKey
ZGENSUYRNWPOET-UHFFFAOYSA-N- Molecular formula
- C9H13N3O4
- Average molar mass
- 227.22 g/mol
- Monoisotopic mass
- 227.0906059
Names & identifiers
- Preferred name
- Imidazole-1-ethanol, alpha-((allyloxy)methyl)-2-nitro-
- IUPAC
- 1-(2-nitroimidazol-1-yl)-3-prop-2-enoxypropan-2-ol
- English name
- α-Allyloxymethyl-2-nitro-1H-imidazole-1-ethanol
- Molecular formula
- C9H13N3O4
- Molecular weight
- 227.22
Names & synonyms
21787-89-3Imidazole-1-ethanol, alpha-((allyloxy)methyl)-2-nitro-RefChem:1087207BRN 0616197alpha-((Allyloxy)methyl)-2-nitroimidazole-1-ethanol1-(2-Nitro-1-imidazolyl)-3-allyloxy-2-propanolDTXSID308758091(2-OH-3-ALLYLOXYPR)2-NO2IMIDAZOLE1-(2-Nitro-1H-imidazol-1-yl)-3-[(prop-2-en-1-yl)oxy]propan-2-olα-Allyloxymethyl-2-nitro-1H-imidazole-1-ethanol1H-Imidazole-1-ethanol, 2-nitro-α-[(2-propen-1-yloxy)methyl]-
Database identifiers
- CAS
21787-89-3- PubChem CID
- 89533
- DTXSID
DTXSID30875809- Nikkaji
- J62.578G
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 93.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 243
Experimental & physicochemical properties
LogP0.3
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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